%chk=000003971.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003971

0 1
 O  -0.2591000      0.2253000      0.1029000    
 O  -0.5850000       4.282000      5.5500001E-02
 N   -2.560800     -7.7000000E-03  0.2706000    
 N   -4.572100      -1.984900     -0.1873000    
 C   -2.449800      -1.321400      0.9062000    
 C   -3.922400      0.4036000     -7.4400000E-02
 C   -3.182400      -2.371600      7.1900003E-02
 C   -4.613700     -0.6947000     -0.8815000    
 C   -1.500400      0.8465000      0.1809000    
 C   0.8687000       1.000200      9.4999997E-03
 C   -1.650900       2.181500      0.1694000    
 C   0.8314000       2.392400     -1.1400000E-02
 C    2.093300      0.3357000     -6.6399999E-02
 C  -0.4728000       3.064200      7.0100002E-02
 C    2.012900       3.131200     -0.1082000    
 C    2.169300      -1.112400     -4.6399999E-02
 C    3.276300       1.069100     -0.1630000    
 C    3.235900       2.463900     -0.1839000    
 C    2.291000      -1.784300       1.168200    
 C    2.119800      -1.827000      -1.241500    
 C    2.363800      -3.177100       1.187700    
 C    2.192500      -3.219900      -1.221800    
 C    2.314500      -3.894800     -7.1000000E-03
 H   -2.888200      -1.266700       1.910900    
 H   -1.409800      -1.641800       1.035300    
 H   -3.948000       1.308400     -0.6919000    
 H   -4.482600      0.6146000      0.8451000    
 H   -2.657900      -2.531000     -0.8788000    
 H   -3.174300      -3.327100      0.6075000    
 H   -5.659700     -0.4156000      -1.049000    
 H   -4.144400     -0.7909000      -1.868900    
 H   -5.016600      -2.694900     -0.7686000    
 H   -2.608000       2.682200      0.2563000    
 H    2.000400       4.217200     -0.1256000    
 H    4.241100      0.5704000     -0.2230000    
 H    4.159000       3.031500     -0.2592000    
 H    2.329700      -1.239700       2.108500    
 H    2.023900      -1.315900      -2.196400    
 H    2.458300      -3.702800       2.133400    
 H    2.153700      -3.779000      -2.152000    
 H    2.370700      -4.979300      8.2000000E-03


%chk=000003971-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003971

0 1
O -0.307354 0.270189 0.059186
O -0.594353 4.435375 -0.065814
N -2.581590 -0.029516 0.041535
N -4.615034 -1.976513 -0.364273
C -2.383120 -1.429338 0.503032
C -3.995219 0.392617 -0.068658
C -3.198914 -2.399161 -0.371183
C -4.784340 -0.621313 -0.923878
C -1.561363 0.899436 0.048855
C 0.876354 1.046604 0.044989
C -1.674606 2.286188 0.022541
C 0.809470 2.459176 0.000116
C 2.105700 0.331588 0.100272
C -0.516175 3.158049 -0.028210
C 2.017007 3.198810 0.012871
C 2.189967 -1.158854 0.139170
C 3.288311 1.114518 0.120372
C 3.251548 2.529221 0.076899
C 3.098839 -1.791761 1.030838
C 1.419323 -1.977872 -0.731726
C 3.232345 -3.197224 1.055645
C 1.555661 -3.382577 -0.710019
C 2.460890 -4.000370 0.184550
H -2.735150 -1.514653 1.552407
H -1.312991 -1.675385 0.463820
H -4.047483 1.383608 -0.546478
H -4.451202 0.456599 0.940842
H -2.755639 -2.412191 -1.397949
H -3.118547 -3.415633 0.053715
H -5.854185 -0.346353 -0.902412
H -4.424336 -0.539980 -1.979506
H -5.248510 -2.668282 -0.781612
H -2.652143 2.768082 0.068247
H 1.937835 4.290230 -0.023751
H 4.253682 0.596777 0.139781
H 4.188296 3.095823 0.084051
H 3.685109 -1.177665 1.724037
H 0.728627 -1.508865 -1.439403
H 3.933122 -3.663951 1.756926
H 0.962827 -3.995016 -1.399147
H 2.564642 -5.091016 0.201121


